(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid

C10H18N2O3 — CID 139553940

IUPAC(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCCN1C(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-3-2-6-12(7)9(13)5-4-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7?,8-/m1/s1
InChIKeySVQSULFSUZNVDV-BRFYHDHCSA-N
MW214.26 g/mol
LogP0.19
Rot. Bonds4

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

(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid (PubChem CID 139553940) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
PubChem CID139553940
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid
SMILESCC1CCCN1C(=O)CC[C@@H](N)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-3-2-6-12(7)9(13)5-4-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7?,8-/m1/s1
InChIKeySVQSULFSUZNVDV-BRFYHDHCSA-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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Related Compounds

(2S)-2-amino-5-(4-methylpiperidin-1-yl)-5-oxopentanoic acid
CID 101056620
2-amino-4-methoxy-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 62472696
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
(2S,4R)-1-[(4S)-4-amino-4-carboxybutanoyl]-4-methylpyrrolidine-2-carboxylic acid
CID 118245943
[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
CID 71416331
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
1-(2-methylpyrrolidin-1-yl)-2-propan-2-yloxyethanone
CID 112695655
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046
(2S)-2-amino-1-[(2R)-2-methylpyrrolidin-1-yl]decane-1,8-dione
CID 59576434

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid (CID 139553940) is (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid is CC1CCCN1C(=O)CC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
The InChIKey is SVQSULFSUZNVDV-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-3-2-6-12(7)9(13)5-4-8(11)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid?
(2R)-2-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 (2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 139553940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).