(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid

C10H19N3O4 — CID 25256614

IUPAC(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid
SMILESCC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)8(13-7(14)4-11)9(15)12-6(3)10(16)17/h5-6,8H,4,11H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1
InChIKeyGWCJMBNBFYBQCV-XPUUQOCRSA-N
MW245.28 g/mol
LogP-1.32
Rot. Bonds6

About (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid

(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid (PubChem CID 25256614) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid
PubChem CID25256614
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid
SMILESCC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)8(13-7(14)4-11)9(15)12-6(3)10(16)17/h5-6,8H,4,11H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1
InChIKeyGWCJMBNBFYBQCV-XPUUQOCRSA-N
XLogP-1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Glycyl-L-leucine
CID 92843
L-Alanyl-L-alanine
CID 5484352
Ala-Val
CID 96799
D-Alanyl-D-Alanine
CID 5460362
L-Leucyl-L-alanine
CID 81721
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801
Val-Ser
CID 6992640
Ala-Ile
CID 7408079
Val-Ala
CID 6992638
N-Acetyl-L-valine
CID 66789
(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate
CID 1548899

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid (CID 25256614) is (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid is CC(C)[C@H](NC(=O)CN)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid?
The InChIKey is GWCJMBNBFYBQCV-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5(2)8(13-7(14)4-11)9(15)12-6(3)10(16)17/h5-6,8H,4,11H2,1-3H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]propanoic acid is sourced from PubChem (CID 25256614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).