(2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide

C11H24N4O2 — CID 176948747

IUPAC(2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N[C@H](C)CCCNC(N)=O
InChIInChI=1S/C11H24N4O2/c1-7(2)9(12)10(16)15-8(3)5-4-6-14-11(13)17/h7-9H,4-6,12H2,1-3H3,(H,15,16)(H3,13,14,17)/t8-,9+/m1/s1
InChIKeyPQQYODHTUATBDZ-BDAKNGLRSA-N
MW244.34 g/mol
LogP-0.08
Rot. Bonds7

About (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide

(2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide (PubChem CID 176948747) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide
PubChem CID176948747
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name(2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)N[C@H](C)CCCNC(N)=O
InChIInChI=1S/C11H24N4O2/c1-7(2)9(12)10(16)15-8(3)5-4-6-14-11(13)17/h7-9H,4-6,12H2,1-3H3,(H,15,16)(H3,13,14,17)/t8-,9+/m1/s1
InChIKeyPQQYODHTUATBDZ-BDAKNGLRSA-N
XLogP-0.08
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[[2-[(2-amino-3-methylbutanoyl)amino]-5-(carbamoylamino)pentanoyl]amino]methyl acetate
CID 170745517
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]pentanedioic acid
CID 175784350
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769
(2S)-2-amino-N-[6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]-3-methylbutanamide
CID 157276797
2-amino-N-[6-(carbamoylamino)-1-[4-(hydroxymethyl)phenyl]-2-oxohexan-3-yl]-3-methylbutanamide
CID 160657503
(2S)-2-amino-N-[(3S)-1-(4-aminophenyl)-6-(carbamoylamino)-1-hydroxy-2-oxohexan-3-yl]-3-methylbutanamide
CID 70143672
5-[(2-amino-3-methylbutanoyl)amino]-2-methylpentanoic acid
CID 115867248
(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]-5-(carbamoylamino)pentanoic acid
CID 175845382
(2S)-2-amino-N-butyl-3-methylbutan(15N)amide
CID 158456312
(3S)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]-6-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]hexanamide
CID 170009615
[4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl hydrogen carbonate
CID 143394050

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide (CID 176948747) is (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)N[C@H](C)CCCNC(N)=O.
What is the InChIKey of (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide?
The InChIKey is PQQYODHTUATBDZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-7(2)9(12)10(16)15-8(3)5-4-6-14-11(13)17/h7-9H,4-6,12H2,1-3H3,(H,15,16)(H3,13,14,17)/t8-,9+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide?
(2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide has a molecular weight of 244.34 g/mol, XLogP of -0.08, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 176948747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).