(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid

C7H14N2O4 — CID 87289464

IUPAC(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
SMILESCOCCC(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-13-3-2-6(10)9-4-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyLBOLBMUVZYWAEV-YFKPBYRVSA-N
MW190.20 g/mol
LogP-1.45
Rot. Bonds6

About (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid

(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid (PubChem CID 87289464) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
PubChem CID87289464
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
SMILESCOCCC(=O)NC[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-13-3-2-6(10)9-4-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKeyLBOLBMUVZYWAEV-YFKPBYRVSA-N
XLogP-1.45
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
CID 103263247
2-amino-3-(propanoylamino)propanoic acid
CID 59142099
3-methoxy-N-[2-(methylamino)propyl]propanamide
CID 103512714
2-amino-3-[(2-aminoacetyl)amino]propanoic acid
CID 14721793
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
2-amino-5-methoxypentanoic acid
CID 18361135
N-(3-aminobutyl)-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119498989
2-amino-3-[(1-hydroxy-3-methoxypropan-2-yl)amino]propanoic acid
CID 106190983
(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride
CID 24854389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid (CID 87289464) is (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid is COCCC(=O)NC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid?
The InChIKey is LBOLBMUVZYWAEV-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-13-3-2-6(10)9-4-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid?
(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid has a molecular weight of 190.20 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid is sourced from PubChem (CID 87289464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).