(3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid

C7H13N3O4 — CID 175971563

IUPAC(3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
SMILESC[C@H](N)C(=O)NC(=O)[C@@H](N)CC(=O)O
InChIInChI=1S/C7H13N3O4/c1-3(8)6(13)10-7(14)4(9)2-5(11)12/h3-4H,2,8-9H2,1H3,(H,11,12)(H,10,13,14)/t3-,4-/m0/s1
InChIKeyVDUAFEJVBJIDAD-IMJSIDKUSA-N
MW203.20 g/mol
LogP-2.22
Rot. Bonds4

About (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid

(3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid (PubChem CID 175971563) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
PubChem CID175971563
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name(3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
SMILESC[C@H](N)C(=O)NC(=O)[C@@H](N)CC(=O)O
InChIInChI=1S/C7H13N3O4/c1-3(8)6(13)10-7(14)4(9)2-5(11)12/h3-4H,2,8-9H2,1H3,(H,11,12)(H,10,13,14)/t3-,4-/m0/s1
InChIKeyVDUAFEJVBJIDAD-IMJSIDKUSA-N
XLogP-2.22
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-4-[[(2R)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 174458193
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
3-[[(2R)-2-aminopropanoyl]amino]butanoic acid
CID 78973363
2-aminobutanedioic acid;bis(2-aminopropanoic acid)
CID 154929079
3-amino-4-hydrazinyl-4-oxobutanoic acid
CID 18780182
3-amino-4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoic acid;hydrate
CID 21447998
3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300
3-amino-4-hydrazinyl-4-oxobutanoic acid;dihydrochloride
CID 138991140
(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
3-amino-4-(ethoxyamino)-4-oxobutanoic acid
CID 64974788

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid (CID 175971563) is (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid is C[C@H](N)C(=O)NC(=O)[C@@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid?
The InChIKey is VDUAFEJVBJIDAD-IMJSIDKUSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-3(8)6(13)10-7(14)4(9)2-5(11)12/h3-4H,2,8-9H2,1H3,(H,11,12)(H,10,13,14)/t3-,4-/m0/s1.
What are the key properties of (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid?
(3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid has a molecular weight of 203.20 g/mol, XLogP of -2.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 175971563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).