(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid

C9H16N2O3 — CID 87879167

IUPAC(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid
SMILESC=CCN(C)[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-3-6-11(2)7(9(13)14)4-5-8(10)12/h3,7H,1,4-6H2,2H3,(H2,10,12)(H,13,14)/t7-/m0/s1
InChIKeyNVDMEAZAPLGETF-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.18
Rot. Bonds7

About (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid (PubChem CID 87879167) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid
PubChem CID87879167
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid
SMILESC=CCN(C)[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-3-6-11(2)7(9(13)14)4-5-8(10)12/h3,7H,1,4-6H2,2H3,(H2,10,12)(H,13,14)/t7-/m0/s1
InChIKeyNVDMEAZAPLGETF-ZETCQYMHSA-N
XLogP-0.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(dichloroamino)-5-oxopentanoic acid
CID 21446182
5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-5-oxopentanoic acid
CID 87490662
(4S)-4-(dimethylamino)-5-oxohexanamide
CID 59048247
5-amino-2-[(carbamoylamino)-propylamino]-5-oxopentanoic acid
CID 175602366
2-[methyl(prop-2-enyl)amino]acetamide
CID 55207696
N-methyl-5-methylidene-N-prop-2-enyloctan-4-amine
CID 141178163
(2S)-5-amino-2-[bis(dodecanoylamino)amino]-5-oxopentanoic acid
CID 135284923
5-amino-2-[hydroxy(nonadecyl)amino]-5-oxopentanoic acid
CID 134249161
(2S)-5-amino-2-[butyl(dodecyl)amino]-5-oxopentanoic acid
CID 150171158
CID 175857713
CID 175857713
(4S)-4-[1-iodoethyl(methyl)amino]-6-methyl-5-oxoheptanamide
CID 146233687
CID 175765431
CID 175765431

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid (CID 87879167) is (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid is C=CCN(C)[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid?
The InChIKey is NVDMEAZAPLGETF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-6-11(2)7(9(13)14)4-5-8(10)12/h3,7H,1,4-6H2,2H3,(H2,10,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[methyl(prop-2-enyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 87879167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).