(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid

C8H16N2O3 — CID 6993184

IUPAC(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(2)10-7(11)4-3-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyCABXGBMKSVRWOG-LURJTMIESA-N
MW188.23 g/mol
LogP-0.30
Rot. Bonds5

About (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid

(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid (PubChem CID 6993184) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
PubChem CID6993184
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C8H16N2O3/c1-5(2)10-7(11)4-3-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyCABXGBMKSVRWOG-LURJTMIESA-N
XLogP-0.30
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 ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-oxo-5-(1-oxopropan-2-ylamino)pentanoic acid
CID 22152590
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229
(2S)-2-[(4-amino-4-carboxybutanoyl)amino]pentanedioic acid
CID 87289628
(2R)-2-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-[[(4R)-4-amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 71728417
(2S)-2-amino-5-[[(1S)-1-carboxyethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid
CID 166603904
2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-methylidenepent-4-enoic acid
CID 24795463
5-oxo-2-propan-2-yl-5-(propan-2-ylamino)pentanoic acid
CID 112515283
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid (CID 6993184) is (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid is CC(C)NC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid?
The InChIKey is CABXGBMKSVRWOG-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5(2)10-7(11)4-3-6(9)8(12)13/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid?
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 6993184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).