(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid

C15H27N3O3 — CID 78976051

IUPAC(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCN(CC2CC2)CC1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-11(2)9-13(14(19)20)16-15(21)18-7-5-17(6-8-18)10-12-3-4-12/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)/t13-/m1/s1
InChIKeyQXFNHNVMRLMDFA-CYBMUJFWSA-N
MW297.40 g/mol
LogP1.22
Rot. Bonds6

About (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid

(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 78976051) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
PubChem CID78976051
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N1CCN(CC2CC2)CC1)C(=O)O
InChIInChI=1S/C15H27N3O3/c1-11(2)9-13(14(19)20)16-15(21)18-7-5-17(6-8-18)10-12-3-4-12/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)/t13-/m1/s1
InChIKeyQXFNHNVMRLMDFA-CYBMUJFWSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]hexanoic acid
CID 107145663
2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 62083485
(2S)-2-[(4-formylpiperazine-1-carbonyl)amino]-4-methylpentanoic acid
CID 28509444
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
2-[[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]methyl]-3-methylbutanoic acid
CID 65223636
(2R)-2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonylamino)-4-methylpentanoic acid
CID 79943683
(2S)-2-[[(2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 69164400
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid (CID 78976051) is (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)N1CCN(CC2CC2)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is QXFNHNVMRLMDFA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(2)9-13(14(19)20)16-15(21)18-7-5-17(6-8-18)10-12-3-4-12/h11-13H,3-10H2,1-2H3,(H,16,21)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid?
(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).