(2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid

C14H26N2O5 — CID 104985558

IUPAC(2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N(C)CC1(O)CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-10(2)8-11(12(17)18)15-13(19)16(3)9-14(20)4-6-21-7-5-14/h10-11,20H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyATDWDRGQEOJYSN-LLVKDONJSA-N
MW302.37 g/mol
LogP0.67
Rot. Bonds6

About (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid

(2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid (PubChem CID 104985558) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
PubChem CID104985558
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name(2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N(C)CC1(O)CCOCC1)C(=O)O
InChIInChI=1S/C14H26N2O5/c1-10(2)8-11(12(17)18)15-13(19)16(3)9-14(20)4-6-21-7-5-14/h10-11,20H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyATDWDRGQEOJYSN-LLVKDONJSA-N
XLogP0.67
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 114950952
(2S)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]hexanoic acid
CID 107146646
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylpentanoic acid
CID 114950907
(2S)-4-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 104866649
4-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 114950925
3-amino-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114951120
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methylpentanoic acid
CID 115439404
2-[[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]methyl]pentanoic acid
CID 114950946
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
(2S)-2-[[cyclopropyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61195446
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114949096

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid (CID 104985558) is (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)N(C)CC1(O)CCOCC1)C(=O)O.
What is the InChIKey of (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is ATDWDRGQEOJYSN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-10(2)8-11(12(17)18)15-13(19)16(3)9-14(20)4-6-21-7-5-14/h10-11,20H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 104985558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).