(2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid

C14H29N3O3 — CID 79009736

IUPAC(2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)NCCN(C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-9(2)12(13(18)19)16-14(20)15-7-8-17(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1
InChIKeyPRHYVOYXDUTOGY-GFCCVEGCSA-N
MW287.40 g/mol
LogP1.51
Rot. Bonds8

About (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid

(2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid (PubChem CID 79009736) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
PubChem CID79009736
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name(2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)NCCN(C(C)C)C(C)C)C(=O)O
InChIInChI=1S/C14H29N3O3/c1-9(2)12(13(18)19)16-14(20)15-7-8-17(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1
InChIKeyPRHYVOYXDUTOGY-GFCCVEGCSA-N
XLogP1.51
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 16789059
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979
(2S)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 107565891
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3-methylbutanoic acid
CID 63316795
(2S)-3-methyl-2-[3-(methylamino)propylcarbamoylamino]butanoic acid
CID 61404306
(2S)-2-(3-aminopropylcarbamoylamino)-3-methylbutanoic acid
CID 62275364
(2S)-3-methyl-2-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 55097791
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071784
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 30071787
(2S)-3-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-2-hydroxypropanoic acid
CID 107837851
5-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 82846283
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
CID 110894307

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid (CID 79009736) is (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)NCCN(C(C)C)C(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid?
The InChIKey is PRHYVOYXDUTOGY-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-9(2)12(13(18)19)16-14(20)15-7-8-17(10(3)4)11(5)6/h9-12H,7-8H2,1-6H3,(H,18,19)(H2,15,16,20)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid?
(2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid has a molecular weight of 287.40 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79009736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).