2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid

C13H23N3O6 — CID 70812112

IUPAC2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid
SMILESN[C@H](CCC(=O)NCC(=O)O)C(=O)OCCN1CCOCC1
InChIInChI=1S/C13H23N3O6/c14-10(1-2-11(17)15-9-12(18)19)13(20)22-8-5-16-3-6-21-7-4-16/h10H,1-9,14H2,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyNEJURALNSUQXMI-SNVBAGLBSA-N
MW317.34 g/mol
LogP-1.83
Rot. Bonds9

About 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid

2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid (PubChem CID 70812112) has the molecular formula C13H23N3O6 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid
PubChem CID70812112
Molecular FormulaC13H23N3O6
Molecular Weight317.34 g/mol
Exact Mass317.16
IUPAC Name2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid
SMILESN[C@H](CCC(=O)NCC(=O)O)C(=O)OCCN1CCOCC1
InChIInChI=1S/C13H23N3O6/c14-10(1-2-11(17)15-9-12(18)19)13(20)22-8-5-16-3-6-21-7-4-16/h10H,1-9,14H2,(H,15,17)(H,18,19)/t10-/m1/s1
InChIKeyNEJURALNSUQXMI-SNVBAGLBSA-N
XLogP-1.83
TPSA131.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid with MolForge

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Related Compounds

2-(3-morpholin-4-ylpropanoylamino)acetic acid
CID 110834638
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 66550735
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
N-[(2S)-2-amino-3-methylpentyl]-3-morpholin-4-ylpropanamide
CID 68721250
2-morpholin-4-ylethyl 2-bromobutanoate
CID 118876089
2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
2-(2-morpholin-4-ylethylamino)acetic acid
CID 28897547
2-[3-(azepan-1-yl)propanoylamino]acetic acid
CID 52983762
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid?
The IUPAC name of 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid (CID 70812112) is 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid is N[C@H](CCC(=O)NCC(=O)O)C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid?
The InChIKey is NEJURALNSUQXMI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O6/c14-10(1-2-11(17)15-9-12(18)19)13(20)22-8-5-16-3-6-21-7-4-16/h10H,1-9,14H2,(H,15,17)(H,18,19)/t10-/m1/s1.
What are the key properties of 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid?
2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid has a molecular weight of 317.34 g/mol, XLogP of -1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-4-amino-5-(2-morpholin-4-ylethoxy)-5-oxopentanoyl]amino]acetic acid is sourced from PubChem (CID 70812112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).