(4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid

C10H18N2O3 — CID 58613194

IUPAC(4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCCN1C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-3-2-6-12(7)10(15)8(11)4-5-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyBMKXVCLHJVCPPW-MQWKRIRWSA-N
MW214.26 g/mol
LogP0.19
Rot. Bonds4

About (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid

(4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid (PubChem CID 58613194) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
PubChem CID58613194
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCCN1C(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-3-2-6-12(7)10(15)8(11)4-5-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14)/t7?,8-/m0/s1
InChIKeyBMKXVCLHJVCPPW-MQWKRIRWSA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid (CID 58613194) is (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid is CC1CCCN1C(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The InChIKey is BMKXVCLHJVCPPW-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-3-2-6-12(7)10(15)8(11)4-5-9(13)14/h7-8H,2-6,11H2,1H3,(H,13,14)/t7?,8-/m0/s1.
What are the key properties of (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
(4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 58613194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).