(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid

C19H27N5O4 — CID 154815776

IUPAC(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
SMILESCc1ccc2oc(N3CCC(C(=O)N[C@@H](CCCCN)C(=O)O)CC3)nc2n1
InChIInChI=1S/C19H27N5O4/c1-12-5-6-15-16(21-12)23-19(28-15)24-10-7-13(8-11-24)17(25)22-14(18(26)27)4-2-3-9-20/h5-6,13-14H,2-4,7-11,20H2,1H3,(H,22,25)(H,26,27)/t14-/m0/s1
InChIKeyXLJPBJGVXSXPIE-AWEZNQCLSA-N
MW389.46 g/mol
LogP1.45
Rot. Bonds8

About (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid

(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid (PubChem CID 154815776) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
PubChem CID154815776
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid
SMILESCc1ccc2oc(N3CCC(C(=O)N[C@@H](CCCCN)C(=O)O)CC3)nc2n1
InChIInChI=1S/C19H27N5O4/c1-12-5-6-15-16(21-12)23-19(28-15)24-10-7-13(8-11-24)17(25)22-14(18(26)27)4-2-3-9-20/h5-6,13-14H,2-4,7-11,20H2,1H3,(H,22,25)(H,26,27)/t14-/m0/s1
InChIKeyXLJPBJGVXSXPIE-AWEZNQCLSA-N
XLogP1.45
TPSA134.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 155493965
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 171150648
N-(1,1-dioxothian-4-yl)-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154823090
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154564469
[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154565637
(2S)-6-amino-2-(cyclohexanecarbonylamino)hexanoic acid
CID 22838737
1-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]piperidine-3-carbonitrile
CID 155914374
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2-oxoazepan-3-yl)piperidine-4-carboxamide
CID 154567726
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 154564689
2-[3-(1-hydroxyethyl)-5-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-1,2,4-triazol-1-yl]acetic acid
CID 155919770
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid (CID 154815776) is (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid is Cc1ccc2oc(N3CCC(C(=O)N[C@@H](CCCCN)C(=O)O)CC3)nc2n1.
What is the InChIKey of (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid?
The InChIKey is XLJPBJGVXSXPIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-12-5-6-15-16(21-12)23-19(28-15)24-10-7-13(8-11-24)17(25)22-14(18(26)27)4-2-3-9-20/h5-6,13-14H,2-4,7-11,20H2,1H3,(H,22,25)(H,26,27)/t14-/m0/s1.
What are the key properties of (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid?
(2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid has a molecular weight of 389.46 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-4-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 154815776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).