(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid

C11H20N2O4 — CID 119238547

IUPAC(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
SMILESCC(C)CCC(=O)NCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)4-5-9(14)12-6-10(15)13-8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeySWERHCYJZAOVJA-QMMMGPOBSA-N
MW244.29 g/mol
LogP0.13
Rot. Bonds7

About (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid

(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid (PubChem CID 119238547) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
PubChem CID119238547
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid
SMILESCC(C)CCC(=O)NCC(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(2)4-5-9(14)12-6-10(15)13-8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1
InChIKeySWERHCYJZAOVJA-QMMMGPOBSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-[[2-[[2-[[2-[[2-(methylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 171100444
2-[[2-[(6-methoxy-6-oxohexanoyl)amino]acetyl]amino]propanoic acid
CID 146653603
2-[[2-(3,3-dimethylbutanoylamino)acetyl]amino]propanoic acid
CID 119225652
(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid
CID 142115980
2-[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoylamino]propanoic acid
CID 18487522
(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 25062155
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 71443016
2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]propanoic acid
CID 16785652
4-[[2-(4-methylpentanoylamino)acetyl]amino]butanoic acid
CID 119171039
(2S)-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]propanoic acid
CID 71361691
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101176077
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid (CID 119238547) is (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid is CC(C)CCC(=O)NCC(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid?
The InChIKey is SWERHCYJZAOVJA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(2)4-5-9(14)12-6-10(15)13-8(3)11(16)17/h7-8H,4-6H2,1-3H3,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid?
(2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-methylpentanoylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 119238547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).