(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid

C11H21N3O5 — CID 175938398

IUPAC(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NN[C@@H](CCC(N)=O)C(=O)O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-6(2)9(11(18)19)14-13-7(10(16)17)4-5-8(12)15/h6-7,9,13-14H,3-5H2,1-2H3,(H2,12,15)(H,16,17)(H,18,19)/t6-,7-,9-/m0/s1
InChIKeyNPBHGIUNBLTMOL-ZKWXMUAHSA-N
MW275.31 g/mol
LogP-0.70
Rot. Bonds10

About (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid

(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid (PubChem CID 175938398) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid
PubChem CID175938398
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NN[C@@H](CCC(N)=O)C(=O)O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-6(2)9(11(18)19)14-13-7(10(16)17)4-5-8(12)15/h6-7,9,13-14H,3-5H2,1-2H3,(H2,12,15)(H,16,17)(H,18,19)/t6-,7-,9-/m0/s1
InChIKeyNPBHGIUNBLTMOL-ZKWXMUAHSA-N
XLogP-0.70
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 145455038
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(2S)-5-amino-2-(3-methylpentan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 61465945
5-amino-2-[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-5-oxopentanoic acid
CID 18295010
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18236539
(4S)-4-amino-5-[[(2S,3S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 145455406
2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 18222092
2-[[5-amino-2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 18240252
5-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 22702638
2-[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]propanoylamino]-3-methylpentanoic acid
CID 22704838
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 18233960
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid
CID 18234754

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid (CID 175938398) is (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid is CC[C@H](C)[C@H](NN[C@@H](CCC(N)=O)C(=O)O)C(=O)O.
What is the InChIKey of (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid?
The InChIKey is NPBHGIUNBLTMOL-ZKWXMUAHSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-6(2)9(11(18)19)14-13-7(10(16)17)4-5-8(12)15/h6-7,9,13-14H,3-5H2,1-2H3,(H2,12,15)(H,16,17)(H,18,19)/t6-,7-,9-/m0/s1.
What are the key properties of (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid?
(2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.70, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-[(1S)-4-amino-1-carboxy-4-oxobutyl]hydrazinyl]-3-methylpentanoic acid is sourced from PubChem (CID 175938398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).