(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid

C10H20N2O3 — CID 83194407

IUPAC(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C)CCNC(=O)CN[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)4-5-11-9(13)6-12-8(3)10(14)15/h7-8,12H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeySMCSXEIFPOUSOT-QMMMGPOBSA-N
MW216.28 g/mol
LogP0.21
Rot. Bonds7

About (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid

(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 83194407) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID83194407
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
SMILESCC(C)CCNC(=O)CN[C@@H](C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)4-5-11-9(13)6-12-8(3)10(14)15/h7-8,12H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeySMCSXEIFPOUSOT-QMMMGPOBSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60672212
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 54957153
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61487192
(2R)-2-[[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]propanoic acid
CID 83195053
2-[(2-hydroxy-1-phenylethyl)amino]-N-(3-methylbutyl)acetamide
CID 63183041
(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 83194745

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid (CID 83194407) is (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid is CC(C)CCNC(=O)CN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is SMCSXEIFPOUSOT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)4-5-11-9(13)6-12-8(3)10(14)15/h7-8,12H,4-6H2,1-3H3,(H,11,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid?
(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83194407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).