(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C12H21N3O5 — CID 102962992

IUPAC(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC1CCCN(C(=O)N[C@@H](CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-20-8-3-2-6-15(7-8)12(19)14-9(11(17)18)4-5-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8?,9-/m0/s1
InChIKeyXDIJDUWZNWXWRN-GKAPJAKFSA-N
MW287.32 g/mol
LogP-0.47
Rot. Bonds6

About (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 102962992) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID102962992
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC1CCCN(C(=O)N[C@@H](CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-20-8-3-2-6-15(7-8)12(19)14-9(11(17)18)4-5-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8?,9-/m0/s1
InChIKeyXDIJDUWZNWXWRN-GKAPJAKFSA-N
XLogP-0.47
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661
(2R)-5-amino-2-[(3-aminopiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830632
(2S)-5-amino-2-[(3-ethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61200860
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2S)-5-amino-2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61199399
3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536327
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 102962992) is (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid is COC1CCCN(C(=O)N[C@@H](CCC(N)=O)C(=O)O)C1.
What is the InChIKey of (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is XDIJDUWZNWXWRN-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-20-8-3-2-6-15(7-8)12(19)14-9(11(17)18)4-5-10(13)16/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)/t8?,9-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 102962992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).