(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid

C9H17N3O4 — CID 61267028

IUPAC(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)(N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-9(2,11)8(16)12-5(7(14)15)3-4-6(10)13/h5H,3-4,11H2,1-2H3,(H2,10,13)(H,12,16)(H,14,15)/t5-/m0/s1
InChIKeyDQWQXBGIEDUNFL-YFKPBYRVSA-N
MW231.25 g/mol
LogP-1.44
Rot. Bonds6

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

(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid (PubChem CID 61267028) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
PubChem CID61267028
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid
SMILESCC(C)(N)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-9(2,11)8(16)12-5(7(14)15)3-4-6(10)13/h5H,3-4,11H2,1-2H3,(H2,10,13)(H,12,16)(H,14,15)/t5-/m0/s1
InChIKeyDQWQXBGIEDUNFL-YFKPBYRVSA-N
XLogP-1.44
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(2-amino-2-ethylbutanoyl)amino]-5-oxopentanoic acid
CID 79814047
5-amino-2-[(3-amino-2,2-dimethylpropanoyl)amino]-5-oxopentanoic acid
CID 115426530
(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551
5-amino-2-(tert-butylcarbamoylamino)-5-oxopentanoic acid
CID 43210526
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
5-amino-5-oxo-2-(2,2,3,3-tetrafluoropropanoylamino)pentanoic acid
CID 114032465
(2S)-5-amino-2-[(3-hydroxy-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 90239937
(2S)-5-amino-2-(2,2-dimethylpropylcarbamoylamino)-5-oxopentanoic acid
CID 61209238
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
5-amino-5-oxo-2-(prop-1-en-2-ylamino)pentanoic acid
CID 142578734
5-amino-2-(2-aminobutan-2-ylamino)-5-oxopentanoic acid
CID 174723858

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid (CID 61267028) is (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid is CC(C)(N)C(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid?
The InChIKey is DQWQXBGIEDUNFL-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-9(2,11)8(16)12-5(7(14)15)3-4-6(10)13/h5H,3-4,11H2,1-2H3,(H2,10,13)(H,12,16)(H,14,15)/t5-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid has a molecular weight of 231.25 g/mol, XLogP of -1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2-amino-2-methylpropanoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 61267028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).