(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid

C12H24N2O3 — CID 107566471

IUPAC(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(CC)C(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-7-10(11(15)16)14-12(17)13-9(6-2)8(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1
InChIKeyCGZBQRVVXUMGOD-QVDQXJPCSA-N
MW244.33 g/mol
LogP1.97
Rot. Bonds7

About (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid

(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid (PubChem CID 107566471) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
PubChem CID107566471
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NC(CC)C(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-7-10(11(15)16)14-12(17)13-9(6-2)8(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1
InChIKeyCGZBQRVVXUMGOD-QVDQXJPCSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
(2S)-4-hydroxy-2-(2-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 107826796
(2S)-2-(2-methylpentan-3-ylcarbamoylamino)pentanedioic acid
CID 61471190
(2S)-2-(butan-2-ylcarbamoylamino)pentanoic acid
CID 107565859
2-(2-methylpentan-3-ylamino)pentanoic acid
CID 65055510
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 61470917
(2R)-2-(but-3-en-2-ylcarbamoylamino)pentanoic acid
CID 107567629
(2S)-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 107566458
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]pentanoic acid
CID 54955762
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid (CID 107566471) is (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)NC(CC)C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid?
The InChIKey is CGZBQRVVXUMGOD-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-7-10(11(15)16)14-12(17)13-9(6-2)8(3)4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid?
(2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylpentan-3-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107566471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).