(2S)-2-[formyl(propan-2-yl)amino]propanoic acid

C7H13NO3 — CID 139496454

IUPAC(2S)-2-[formyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(C=O)[C@@H](C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)8(4-9)6(3)7(10)11/h4-6H,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyOXBVIPVKXBIGAL-LURJTMIESA-N
MW159.18 g/mol
LogP0.33
Rot. Bonds4

About (2S)-2-[formyl(propan-2-yl)amino]propanoic acid

(2S)-2-[formyl(propan-2-yl)amino]propanoic acid (PubChem CID 139496454) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S)-2-[formyl(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[formyl(propan-2-yl)amino]propanoic acid
PubChem CID139496454
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S)-2-[formyl(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(C=O)[C@@H](C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(2)8(4-9)6(3)7(10)11/h4-6H,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyOXBVIPVKXBIGAL-LURJTMIESA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[formyl(hydroxy)amino]propanoic acid
CID 6336523
N-(1-hydroxyethyl)-N-propan-2-ylformamide
CID 173056089
2-cyclohexyl-2-[formyl(propan-2-yl)amino]acetic acid
CID 63687750
2-[formyl(propan-2-yl)amino]heptanoic acid
CID 63687564
2-(3,5-dichlorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 55234208
calcium;bis(2-[1-carboxyethyl(hydroxy)amino]propanoic acid);vanadium
CID 11154879
CID 174010213
CID 174010213
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]propanoic acid
CID 22908716
2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63701963
2-(3,4-difluorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63702483
2-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid
CID 63705097
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[formyl(propan-2-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[formyl(propan-2-yl)amino]propanoic acid (CID 139496454) is (2S)-2-[formyl(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[formyl(propan-2-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[formyl(propan-2-yl)amino]propanoic acid is CC(C)N(C=O)[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[formyl(propan-2-yl)amino]propanoic acid?
The InChIKey is OXBVIPVKXBIGAL-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)8(4-9)6(3)7(10)11/h4-6H,1-3H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-[formyl(propan-2-yl)amino]propanoic acid?
(2S)-2-[formyl(propan-2-yl)amino]propanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[formyl(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 139496454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).