(2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid

C8H16N2O3 — CID 61160757

IUPAC(2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)CN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)6(7(12)13)10-5(11)4-9/h6H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyYUZFRZHDCMUDKG-ZCFIWIBFSA-N
MW188.23 g/mol
LogP-0.44
Rot. Bonds3

About (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid

(2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 61160757) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid
PubChem CID61160757
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@H](NC(=O)CN)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-8(2,3)6(7(12)13)10-5(11)4-9/h6H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-/m1/s1
InChIKeyYUZFRZHDCMUDKG-ZCFIWIBFSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid (CID 61160757) is (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid is CC(C)(C)[C@H](NC(=O)CN)C(=O)O.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is YUZFRZHDCMUDKG-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)6(7(12)13)10-5(11)4-9/h6H,4,9H2,1-3H3,(H,10,11)(H,12,13)/t6-/m1/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid?
(2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61160757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).