(4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid

C10H18N2O5 — CID 6992567

IUPAC(4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1
InChIKeySITLTJHOQZFJGG-XPUUQOCRSA-N
MW246.26 g/mol
LogP-0.60
Rot. Bonds7

About (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid

(4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid (PubChem CID 6992567) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
PubChem CID6992567
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1
InChIKeySITLTJHOQZFJGG-XPUUQOCRSA-N
XLogP-0.60
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid (CID 6992567) is (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid is CC(C)[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O.
What is the InChIKey of (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid?
The InChIKey is SITLTJHOQZFJGG-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-5(2)8(10(16)17)12-9(15)6(11)3-4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,8-/m0/s1.
What are the key properties of (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid?
(4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 6992567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).