(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid

C10H16N2O5 — CID 61183186

IUPAC(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)NCC1CC1)C(=O)O
InChIInChI=1S/C10H16N2O5/c13-8(14)4-3-7(9(15)16)12-10(17)11-5-6-1-2-6/h6-7H,1-5H2,(H,13,14)(H,15,16)(H2,11,12,17)/t7-/m0/s1
InChIKeyKKGOGMXYVGBWTE-ZETCQYMHSA-N
MW244.25 g/mol
LogP0.01
Rot. Bonds7

About (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid

(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid (PubChem CID 61183186) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
PubChem CID61183186
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)NCC1CC1)C(=O)O
InChIInChI=1S/C10H16N2O5/c13-8(14)4-3-7(9(15)16)12-10(17)11-5-6-1-2-6/h6-7H,1-5H2,(H,13,14)(H,15,16)(H2,11,12,17)/t7-/m0/s1
InChIKeyKKGOGMXYVGBWTE-ZETCQYMHSA-N
XLogP0.01
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylcarbamoylamino]pentanedioic acid
CID 61205665
2-(cyclopropylmethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61181267
(2S)-2-(cyclopentylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107826145
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
(2R)-5-amino-2-[(1-methylpiperidin-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107830775
(2S)-2-(cyclopropylmethylcarbamoylamino)-4-methylpentanoic acid
CID 61183008
(2S)-2-[2-(cyclopropanecarbonylamino)ethylcarbamoylamino]pentanedioic acid
CID 104865051
4-methoxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244716
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
CID 61151881
2-(thian-4-ylmethylcarbamoylamino)butanedioic acid
CID 113488100
(2S)-2-(thian-4-ylmethylcarbamoylamino)pentanoic acid
CID 107567647
(2R)-2-(2-cyclopropylethylcarbamoylamino)hexanedioic acid
CID 107840303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid (CID 61183186) is (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)NCC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid?
The InChIKey is KKGOGMXYVGBWTE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N2O5/c13-8(14)4-3-7(9(15)16)12-10(17)11-5-6-1-2-6/h6-7H,1-5H2,(H,13,14)(H,15,16)(H2,11,12,17)/t7-/m0/s1.
What are the key properties of (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid?
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid has a molecular weight of 244.25 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid is sourced from PubChem (CID 61183186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).