(3S)-5-acetamido-3-amino-2-methylpentanoic acid

C8H16N2O3 — CID 174276876

IUPAC(3S)-5-acetamido-3-amino-2-methylpentanoic acid
SMILESCC(=O)NCC[C@H](N)C(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(8(12)13)7(9)3-4-10-6(2)11/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5?,7-/m0/s1
InChIKeyRRLMJKHOTDJZRW-MSZQBOFLSA-N
MW188.23 g/mol
LogP-0.44
Rot. Bonds5

About (3S)-5-acetamido-3-amino-2-methylpentanoic acid

(3S)-5-acetamido-3-amino-2-methylpentanoic acid (PubChem CID 174276876) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3S)-5-acetamido-3-amino-2-methylpentanoic acid.

Molecular Properties

Compound Name(3S)-5-acetamido-3-amino-2-methylpentanoic acid
PubChem CID174276876
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(3S)-5-acetamido-3-amino-2-methylpentanoic acid
SMILESCC(=O)NCC[C@H](N)C(C)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(8(12)13)7(9)3-4-10-6(2)11/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5?,7-/m0/s1
InChIKeyRRLMJKHOTDJZRW-MSZQBOFLSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
N-(3-acetamidobutyl)acetamide
CID 118918333
N'-(2-acetamidoethyl)-N-(3-methylbutyl)oxamide
CID 108531294
3-amino-6-tert-butyl-2-methylheptanedioic acid
CID 87854459
4-[[(2S)-2-aminopropanoyl]amino]-2-hydroxybutanoic acid
CID 107836163
ethyl 5-acetamido-3-methylpentanoate
CID 91245879
3-hydroxy-2-methylhept-6-enoic acid;N-(2-sulfanylethyl)acetamide
CID 87844216
(3S,5R)-3-amino-2,5,8-trimethylnonanoic acid
CID 150609396
(2S)-N-(2-acetamidoethylsulfanylmethyl)-2-aminopropanamide
CID 167237972
2,5-diacetamidopentanoic acid
CID 10398396
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
3-amino-2-methyl-4-sulfobutanoic acid
CID 21141328

Frequently Asked Questions

What is the IUPAC name of (3S)-5-acetamido-3-amino-2-methylpentanoic acid?
The IUPAC name of (3S)-5-acetamido-3-amino-2-methylpentanoic acid (CID 174276876) is (3S)-5-acetamido-3-amino-2-methylpentanoic acid.
What is the SMILES notation for (3S)-5-acetamido-3-amino-2-methylpentanoic acid?
The canonical SMILES for (3S)-5-acetamido-3-amino-2-methylpentanoic acid is CC(=O)NCC[C@H](N)C(C)C(=O)O.
What is the InChIKey of (3S)-5-acetamido-3-amino-2-methylpentanoic acid?
The InChIKey is RRLMJKHOTDJZRW-MSZQBOFLSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(8(12)13)7(9)3-4-10-6(2)11/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t5?,7-/m0/s1.
What are the key properties of (3S)-5-acetamido-3-amino-2-methylpentanoic acid?
(3S)-5-acetamido-3-amino-2-methylpentanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-acetamido-3-amino-2-methylpentanoic acid is sourced from PubChem (CID 174276876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).