(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid

C9H16N2O5 — CID 163083327

IUPAC(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
SMILESC[C@H](CNC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-5(8(13)14)4-11-7(12)3-2-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1
InChIKeyFFJJSWCEJRPJEI-RITPCOANSA-N
MW232.24 g/mol
LogP-0.98
Rot. Bonds7

About (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid (PubChem CID 163083327) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
PubChem CID163083327
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
SMILESC[C@H](CNC(=O)CC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-5(8(13)14)4-11-7(12)3-2-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1
InChIKeyFFJJSWCEJRPJEI-RITPCOANSA-N
XLogP-0.98
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(ethylamino)-5-oxopentanoic acid;hydrochloride
CID 73408744
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
(2S)-2-amino-5-[[(1R)-1-carboxypropyl]amino]-5-oxopentanoic acid
CID 129361384
copper;2-amino-5-(ethylamino)-5-oxopentanoic acid;sulfate
CID 174824189
2-amino-5-[[2-[[3-[(4-amino-4-carboxybutanoyl)amino]-1-(carboxymethylamino)-1-oxopropan-2-yl]diselanyl]-3-(carboxymethylamino)-3-oxopropyl]amino]-5-oxopentanoic acid
CID 21125980
2-amino-5-[[(1S)-1-carboxybutyl]amino]-5-oxopentanoic acid
CID 89120164
magnesium bis(3-[[(4S)-4-amino-4-carboxybutanoyl]amino]propanoate)
CID 139643109
2-[(4-amino-4-carboxybutanoyl)amino]butanedioic acid
CID 5122061
(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid
CID 121428706
3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 64678333

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid (CID 163083327) is (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid is C[C@H](CNC(=O)CC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid?
The InChIKey is FFJJSWCEJRPJEI-RITPCOANSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-5(8(13)14)4-11-7(12)3-2-6(10)9(15)16/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)/t5-,6+/m1/s1.
What are the key properties of (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.98, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 163083327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).